[((3S)-3-amino-3-carboxy)propyl][(4-((E)-2-carboxyethenyl)phenyl)hydroxymethyl]phosphinic acid | 1413405-47-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: [((3S)-3-amino-3-carboxy)propyl][(4-((E)-2-carboxyethenyl)phenyl)hydroxymethyl]phosphinic acid
• 英文别名: (2S)-2-amino-4-[[[4-[(E)-2-carboxyethenyl]phenyl]-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
• CAS: 1413405-47-6
• 化学式: C₁₄H₁₈NO₇P
• 分子量: 343.273
• InChiKey: QKKOTCXCHRJFNS-OWFJNCGYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  158
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• [EN] HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF<br/>[FR] DÉRIVÉS DE L'ACIDE HYPOPHOSPHOREUX AYANT UNE ACTIVITÉ ANTIHYPERALGIQUE ET LEURS APPLICATIONS BIOLOGIQUES
  申请人：UNIV PARIS DESCARTES

  公开号：WO2012156931A1

  公开（公告）日：2012-11-22

  The invention relates to hypophosphorous acid derivatives of formula (I) wherein - X is H or OH, - R represents one or several radicals R1-R5, identical or different, two of R1-R5 optionally occupying the same position on the phenyl group, one to four of R1-R5 being H and the others being selected in the group comprising - 0-(CH2)n-COOH; - S-(CH2)n-COOH; -NH-(CH2)n-COOH; - 0-(CH,R') -COOH; -O- (CH2)n-OH; OR', -R' being a C1 -C3 alkyl radical;-OH; --COOH; halogen, particularly -F, - CI, -Br, -I, -CF3; -OCF3; -N02; -CH=CH-COOH; - -(CH2)n-COOH; O - (CH2)n- P03H2; O - (CF2)n- P03H2; O - (CH2)n- S03H; O - (CH2)n- CONHOH; O - (CH2)n-tetrazol; O - (CH2)n-hydroxyisoxazol - n = 1 to 5, preferably 1-3; said hypophosrous acid derivatives being diastereoisomers or enantiomers.

  该发明涉及式(I)的次磷酸衍生物，其中- X为H或OH，- R代表一个或几个基团R1-R5，相同或不同，R1-R5中的两个可以选择占据苯基上的同一位置，R1-R5中的一到四个为H，其余的选择自-0-(CH2)n-COOH；-S-( )n-COOH；-NH-( )n-COOH；-0-(CH,R')-COOH；-O-( )n-OH；OR'，其中-R'为C1-C3烷基基团；-OH；-COOH；卤素，特别是-F，-Cl，-Br，-I，-CF3；-O ；-NO2；-CH=CH-COOH；-( )n-COOH；O-( )n-P03H2；O-(CF2)n-P03H2；O-( )n-S03H；O-( )n-CONHOH；O-( )n-四唑；O-( )n-羟基异噁唑-n=1至5，优选1-3；所述的次磷酸衍生物为对映异构体或对映体。
• HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF
  申请人：Acher Francine

  公开号：US20140107078A1

  公开（公告）日：2014-04-17

  The invention relates to hypophosphorous acid derivatives of formula (I) wherein —X is H or OH, —R represents one or several radicals R 1 -R 5 , identical or different, two of R 1 -R 5 optionally occupying the same position on the phenyl group, one to four of R 1 -R 5 being H and the others being selected in the group comprising -0-(CH 2 ) n —COOH; —S—(CH 2 ) n —COOH; —NH—(CH 2 ) n —COOH; -0-(CH,R′)—COOH; —O—(CH 2 ) n —OH; OR′, —R′ being a C 1 -C 3 alkyl radical; —OH; —COOH; halogen, particularly —F, —CI, —Br, —I, —CF 3 ; —OCF 3 ; —N0 2 ; —CH═CH—COOH; —(CH 2 ) n —COOH; O—(CH 2 ) n —P0 3 H 2 ; O—(CF 2 ) n —P0 3 H 2 ; O—(CH 2 ) n —S0 3 H; O—(CH 2 ) n —CONHOH; O—(CH 2 ) n -tetrazol; O—(CH 2 ) n -hydroxyisoxazol—n=1 to 5, preferably 1-3; said hypophosrous acid derivatives being diastereoisomers or enantiomers.

  本发明涉及公式（I）的亚磷酸衍生物，其中—X为H或OH，—R代表一个或多个基团R1-R5，相同或不同，其中R1-R5中的两个可选择占据苯基上的相同位置，其中一到四个R1-R5是H，其余的被选在包括-0-（CH2）n-COOH；—S-（ ）n-COOH；—NH-（ ）n-COOH；-0-（CH，R′）-COOH；—O-（ ）n-OH；OR′，其中R′是C1-C3烷基基团；—OH；—COOH；卤素，特别是—F，—CI，—Br，—I，—CF3；—O ；—N02；—CH═CH—COOH；—（ ）n-COOH；O-（ ）n-P03H2；O-（CF2）n-P03H2；O-（ ）n-S03H；O-（ ）n-CONHOH；O-（ ）n-四唑；O-（ ）n-羟基异噁唑-n=1至5，优选1-3；所述亚磷酸衍生物为对映异构体或对映体。
• US9212196B2
  申请人：——

  公开号：US9212196B2

  公开（公告）日：2015-12-15